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MC180295

CAT: 0931-T5533-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T5533-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2237942-08-2
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9984
Bioactivity
MC180295 ((rel) -MC180295) is a novel, potent, and highly selective CDK9 inhibitor with an IC50 of 5 nM, demonstrating over 22-fold selectivity compared to other CDKs.
Smiles
Nc1nc(N[C@H]2C[C@@H]3CC[C@H]2C3)sc1C(=O)c1ccccc1[N+]([O-])=O
Molecular Formula
C17H18N4O3S
Molecular Weight
358.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methanone, (4-amino-2-((1R,2R,4S)-bicyclo(2.2.1)hept-2-ylamino)-5-thiazolyl)(2-nitrophenyl)-, rel-
CAS Number2237942-08-2
PubChem CID137333456
IUPAC Name[4-amino-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-1,3-thiazol-5-yl]-(2-nitrophenyl)methanone
Molecular FormulaC17H18N4O3S
Molecular Weight358.4
XLogP4.7
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
C1C[C@H]2C[C@@H]1C[C@@H]2NC3=NC(=C(S3)C(=O)C4=CC=CC=C4[N+](=O)[O-])N
InChI
InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1
InChIKey
JRNXAQINDCOHGS-SCVCMEIPSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (4-amino-2-((1R,2R,4S)-bicyclo(2.2.1)hept-2-ylamino)-5-thiazolyl)(2-nitrophenyl)-, rel-
CAS: 2237942-08-2
CID: 137333456
Formula: C17H18N4O3S
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass358.10996162
Monoisotopic Mass358.10996162
Topological Polar Surface Area142 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP09124-01MC180295
A18892-25MC180295 25mg
A18892-1MC180295 1mg
A18892-100MC180295 100mg
A18892-200MC180295 200mg
A18892-50MC180295 50mg
A18892-10MC180295 10mg
A18892-5MC180295 5mg
A18892-10mM-DMC180295 10mM * 1mL in DMSO

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